scientific-computing
129
chembl-molecule-search
Search ChEMBL database for molecule information by name to retrieve bioactivity data and chemical structures.
InternScience
research
sorting
stars
current ordering strategy
query
all entries
refine the visible subset
scientific-computing
129
chemical-structure-analysis
Analyze chemical structures from compound names to retrieve SMILES, molecular formulas, molecular weight, and LogP values.
InternScience
research
scientific-computing
129
metabolomics-pathway
Metabolomics Pathway Analysis - Analyze metabolomics: compound identification, KEGG pathway mapping, enzyme links, and PubChem data. Use this skill for metabolomics tasks involving search pubchem by name kegg find kegg link kegg get. Combines 4 tools from 2 SCP server(s).
InternScience
research
scientific-computing
129
molecular-format-conversion
Convert between molecular formats including SMILES, InChI, InChIKey, and SELFIES for cheminformatics applications.
InternScience
research
scientific-computing
129
molecular-properties-calculation
Calculate basic molecular properties from SMILES including molecular weight, formula, atom counts, and exact mass.
InternScience
research
scientific-computing
129
molecular-property-profiling
Comprehensive molecular property analysis covering basic info, hydrophobicity, H-bonding, structural complexity, topology, drug-likeness, charge distribution, and complexity metrics.
InternScience
research
scientific-computing
129
molecular-visualization-suite
Molecular Visualization Suite - Visualize molecules: convert SMILES to formats, visualize molecule, visualize protein, visualize complex. Use this skill for chemical visualization tasks involving convert smiles to format visualize molecule visualize protein visualize complex. Combines 4 tools from 1 SCP server(s).
InternScience
research
scientific-computing
129
mouse-model-analysis
Mouse Model Disease Analysis - Analyze mouse disease models: MouseMine search, NCBI mouse gene data, Ensembl cross-species comparison, and orthologs. Use this skill for model organisms tasks involving mousemine search get gene metadata by gene name get homology symbol get gene orthologs. Combines 4 tools from 3 SCP server(s).
InternScience
research
scientific-computing
129
multiomics-integration
Multi-Omics Integration - Integrate multi-omics: gene expression, protein data, pathway enrichment, and metabolic pathways. Use this skill for multi-omics tasks involving get gene expression across cancers get uniprotkb entry by accession get functional enrichment kegg get. Combines 4 tools from 4 SCP server(s).
InternScience
research
scientific-computing
129
mutation-impact-analysis
Mutation Impact Analysis - Analyze mutation impact: predict structure, predict mutations from sequence and structure, and check variant effects with Ensembl VEP. Use this skill for molecular biology tasks involving pred protein structure esmfold zero shot sequence prediction predict zero shot structure get vep hgvs. Combines 4 tools from 3 SCP server(s).
InternScience
research
scientific-computing
129
natural-product-analysis
Natural Product Analysis - Analyze natural products: name to SMILES, PubChem lookup, structural analysis, and KEGG natural product search. Use this skill for natural products chemistry tasks involving NameToSMILES search pubchem by name ChemicalStructureAnalyzer kegg find. Combines 4 tools from 4 SCP server(s).
InternScience
research
scientific-computing
129
nuclear-physics
Nuclear Physics Calculations - Nuclear physics: energy conversion MeV to J, calculate total power, photon rate, and error analysis. Use this skill for nuclear physics tasks involving convert energy MeV to J calculate total power calculate incident photon rate calculate absolute error. Combines 4 tools from 3 SCP server(s).
InternScience
research
scientific-computing
129
peptide-properties-calculation
Calculate peptide sequence properties including molecular weight, isoelectric point, extinction coefficient, and chemical formula.
InternScience
research
scientific-computing
129
protein-properties-calculation
Calculate comprehensive protein sequence properties including isoelectric point, molecular weight, hydrophobicity, and physicochemical parameters.
InternScience
research
scientific-computing
129
protein-property-comparison
Cross-Species Protein Comparison - Compare proteins across species: get orthologs from NCBI, compute properties for each, and compare similarity. Use this skill for comparative biology tasks involving get gene orthologs calculate protein sequence properties calculate smiles similarity get homology id. Combines 4 tools from 3 SCP server(s).
InternScience
research
scientific-computing
129
protein-similarity-search
Protein Similarity Search - Search for similar proteins: extract sequence from PDB, search structures with FoldSeek, find homologs with STRING, and check UniProt. Use this skill for bioinformatics tasks involving extract pdb sequence foldseek search get best similarity hits between species search uniprotkb entries. Combines 4 tools from 3 SCP server(s).
InternScience
research
lab-tools
127
update-samples
Update the samples data file by fetching sample metadata from the microsoft/aspire-samples GitHub repository. Use when adding new samples, refreshing sample data, or ensuring samples.json stays in sync with the upstream repo.
microsoft
research
lab-tools
126
rust-testing
Use when adding or modifying tests. Ensures behavior changes are covered with focused tests and fast feedback.
Jxck
research
lab-tools
125
openspec-verify-change
Verify implementation matches change artifacts. Use when the user wants to validate that implementation is complete, correct, and coherent before archiving.
aehrc
research
lab-tools
125
openspec-archive-change
Archive a completed change in the experimental workflow. Use when the user wants to finalize and archive a change after implementation is complete.
aehrc
research
computational-chemistry
124
campaign-manager
Goal-oriented binder design campaign planning and health assessment. Use this skill when: (1) Planning a complete binder design campaign, (2) Converting high-level goals into runnable pipelines, (3) Assessing campaign health and pass rates, (4) Diagnosing why designs are failing QC, (5) Estimating time, cost, and expected yields, (6) Selecting between design tools for a specific target. This skill orchestrates the other protein design tools. For individual tool parameters, use the specific tool skills.
adaptyvbio
research
scientific-computing
124
foldseek
Structure similarity search with Foldseek. Use this skill when: (1) Finding similar structures in PDB/AFDB databases, (2) Structural homology search, (3) Database queries by 3D structure, (4) Finding remote homologs not detected by sequence, (5) Clustering structures by similarity. For sequence similarity, use uniprot BLAST. For structure prediction, use chai or boltz.
adaptyvbio
research
scientific-computing
124
bindcraft
End-to-end binder design using BindCraft hallucination. Use this skill when: (1) Designing protein binders with built-in AF2 validation, (2) Running production-quality binder campaigns, (3) Using different design protocols (fast, default, slow), (4) Need joint backbone and sequence optimization, (5) Want high experimental success rate. For backbone-only generation, use rfdiffusion. For QC thresholds, use protein-qc. For tool selection guidance, use binder-design.
adaptyvbio
research
scientific-computing
124
alphafold
Validate protein designs using AlphaFold2 structure prediction. Use this skill when: (1) Validating designed sequences fold correctly, (2) Predicting binder-target complex structures, (3) Calculating confidence metrics (pLDDT, pTM, ipTM), (4) Self-consistency validation of designs, (5) Multi-chain complex prediction with AlphaFold-Multimer. For faster single-chain prediction, use esm. For QC thresholds, use protein-qc.
adaptyvbio
research